(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole

C23H19N3O — CID 1327806

IUPAC(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCOc1ccccc1[C@@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21
InChIInChI=1S/C23H19N3O/c1-27-22-14-8-5-11-17(22)21-15-19(16-9-3-2-4-10-16)25-23-24-18-12-6-7-13-20(18)26(21)23/h2-15,21H,1H3,(H,24,25)/t21-/m0/s1
InChIKeyMRUSOAKWCXAWBU-NRFANRHFSA-N
MW353.43 g/mol
LogP5.10
Rot. Bonds3

About (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole

(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 1327806) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID1327806
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCOc1ccccc1[C@@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21
InChIInChI=1S/C23H19N3O/c1-27-22-14-8-5-11-17(22)21-15-19(16-9-3-2-4-10-16)25-23-24-18-12-6-7-13-20(18)26(21)23/h2-15,21H,1H3,(H,24,25)/t21-/m0/s1
InChIKeyMRUSOAKWCXAWBU-NRFANRHFSA-N
XLogP5.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136882596
(4S)-4-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667926
(4R)-2-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136715249
4-(2,3-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4198425
(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136902560
(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682744
(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682715
(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667879
(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136790394
4-(2-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3270126
4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 3357002
ethyl (4R)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135888594

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 1327806) is (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole is COc1ccccc1[C@@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21.
What is the InChIKey of (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is MRUSOAKWCXAWBU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19N3O/c1-27-22-14-8-5-11-17(22)21-15-19(16-9-3-2-4-10-16)25-23-24-18-12-6-7-13-20(18)26(21)23/h2-15,21H,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 353.43 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 1327806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).